4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine

C11H20FN3 — CID 143818286

IUPAC4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)CCCC1(N)C=CC(N)=CC1F
InChIInChI=1S/C11H20FN3/c1-15(2)7-3-5-11(14)6-4-9(13)8-10(11)12/h4,6,8,10H,3,5,7,13-14H2,1-2H3
InChIKeyDBTJECSXQMNYOV-UHFFFAOYSA-N
MW213.30 g/mol
LogP0.78
Rot. Bonds4

About 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine

4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine (PubChem CID 143818286) has the molecular formula C11H20FN3 and a molecular weight of 213.30 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
PubChem CID143818286
Molecular FormulaC11H20FN3
Molecular Weight213.30 g/mol
Exact Mass213.16
IUPAC Name4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine
SMILESCN(C)CCCC1(N)C=CC(N)=CC1F
InChIInChI=1S/C11H20FN3/c1-15(2)7-3-5-11(14)6-4-9(13)8-10(11)12/h4,6,8,10H,3,5,7,13-14H2,1-2H3
InChIKeyDBTJECSXQMNYOV-UHFFFAOYSA-N
XLogP0.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine (CID 143818286) is 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine is CN(C)CCCC1(N)C=CC(N)=CC1F.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine?
The InChIKey is DBTJECSXQMNYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN3/c1-15(2)7-3-5-11(14)6-4-9(13)8-10(11)12/h4,6,8,10H,3,5,7,13-14H2,1-2H3.
What are the key properties of 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine?
4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine has a molecular weight of 213.30 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-3-fluorocyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 143818286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).